SCHEMBL18483189

SCHEMBL18483189

Cc1ccc(-c2nccnc2-c2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MMP2 P08253 3/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 3/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ PSD A5PKW4 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18449777 0.86 PIK3CA (0.52) MAPTPIK3CAPIK3CBPIK3CGTDP1
SCHEMBL18448730 0.86 NPBWR1 (0.47) ACHEHSD17B10MMP2MMP9MMP8
SCHEMBL18483195 0.84 ACHE (0.44) ACHEHSD17B10MMP2MMP9MMP8
SCHEMBL18447813 0.84 TAAR1 (0.46) MAPTPIK3CAPIK3CBPIK3CGTDP1
SCHEMBL7654379 0.83 HSD17B10 (0.55) ACHEHSD17B10MMP2MMP9MMP8
SCHEMBL18448504 0.83 ACHE (0.64) ACHEHSD17B10MMP2MMP9MMP8
SCHEMBL18448145 0.81 IDO1 (0.47) MAOBMAPTTDP1HTTSMN1; SMN2
SCHEMBL18483401 0.79 CDC7 (0.41) ACHEHSD17B10MAOBMAPTTDP1
SCHEMBL18484534 0.77 KMT2A (0.43) ACHEHSD17B10MMP2MMP9MMP8
SCHEMBL28627402 0.77 S1PR4 (0.43) ACHEHSD17B10MMP2MMP9MMP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 — — WO disclosed
US-20150239904-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-08-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150239904-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 ACHE 1104/4885HSD17B10 2628/4885MMP2 3963/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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